2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

C11H11BrN2O — CID 106952204

IUPAC2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2cccc(Br)c2)NC1=O
InChIInChI=1S/C11H11BrN2O/c1-7-11(15)14-10(13-7)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyKEGGTIJSHBSGPM-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.91
Rot. Bonds2

About 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952204) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952204
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2cccc(Br)c2)NC1=O
InChIInChI=1S/C11H11BrN2O/c1-7-11(15)14-10(13-7)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyKEGGTIJSHBSGPM-UHFFFAOYSA-N
XLogP1.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxyphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952206
1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
4-[(3-bromophenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66074859
1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 59017825
4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one
CID 106952234
1-[(3-bromophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879076
2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 135966949
1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797241
6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one
CID 54682743
(3-bromophenyl)methylazanide;yttrium
CID 58710606
1-bromo-3-ethylbenzene;methane
CID 158533972
1-bromo-3-ethylbenzene;ethane
CID 143778556

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952204) is 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(Cc2cccc(Br)c2)NC1=O.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is KEGGTIJSHBSGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-11(15)14-10(13-7)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 267.13 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).